1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole

C25H23NO2 — CID 146163521

IUPAC1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccccc3)cn2Cc2ccccc2)cc1OC
InChIInChI=1S/C25H23NO2/c1-27-24-14-13-21(16-25(24)28-2)23-15-22(20-11-7-4-8-12-20)18-26(23)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3
InChIKeyKICBGJJTTHDAFB-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.89
Rot. Bonds6

About 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole

1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole (PubChem CID 146163521) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole.

Molecular Properties

Compound Name1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole
PubChem CID146163521
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccccc3)cn2Cc2ccccc2)cc1OC
InChIInChI=1S/C25H23NO2/c1-27-24-14-13-21(16-25(24)28-2)23-15-22(20-11-7-4-8-12-20)18-26(23)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3
InChIKeyKICBGJJTTHDAFB-UHFFFAOYSA-N
XLogP5.89
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
CID 175508385
CID 175508385
1-(3-chloropropoxy)-2-methoxy-4-phenylbenzene
CID 173335600
1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810809
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[[(2R)-2-methylbutanoyl]amino]pyrrole-2-carboxylate
CID 92772388
N-hydroxy-4-[[4-(4-hydroxyphenyl)-2-phenylpyrrol-1-yl]methyl]benzamide
CID 141296678

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole?
The IUPAC name of 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole (CID 146163521) is 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole.
What is the SMILES notation for 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole?
The canonical SMILES for 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole is COc1ccc(-c2cc(-c3ccccc3)cn2Cc2ccccc2)cc1OC.
What is the InChIKey of 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole?
The InChIKey is KICBGJJTTHDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-27-24-14-13-21(16-25(24)28-2)23-15-22(20-11-7-4-8-12-20)18-26(23)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3.
What are the key properties of 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole?
1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole has a molecular weight of 369.46 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3,4-dimethoxyphenyl)-4-phenylpyrrole is sourced from PubChem (CID 146163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).